2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide

C10H11Cl3N2O — CID 60638641

IUPAC2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide
SMILESCNC(C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl3N2O/c1-5(14-2)10(16)15-9-4-7(12)6(11)3-8(9)13/h3-5,14H,1-2H3,(H,15,16)
InChIKeyFBSQTPKBQOCGAC-UHFFFAOYSA-N
MW281.57 g/mol
LogP3.19
Rot. Bonds3

About 2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide

2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide (PubChem CID 60638641) has the molecular formula C10H11Cl3N2O and a molecular weight of 281.57 g/mol. Its IUPAC name is 2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide.

Molecular Properties

Compound Name2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide
PubChem CID60638641
Molecular FormulaC10H11Cl3N2O
Molecular Weight281.57 g/mol
Exact Mass279.99
IUPAC Name2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide
SMILESCNC(C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl3N2O/c1-5(14-2)10(16)15-9-4-7(12)6(11)3-8(9)13/h3-5,14H,1-2H3,(H,15,16)
InChIKeyFBSQTPKBQOCGAC-UHFFFAOYSA-N
XLogP3.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.57
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 2841118
(2S)-2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 794436
N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
CID 62639099
N-methyl-2-(2,4,5-trichloroanilino)propanamide
CID 43116604
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 41330979
N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide
CID 60638642
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(methylamino)propanamide
CID 138521251
(2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide
CID 103928303
(2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 7372209
N-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide
CID 2354239
4-methyl-3-oxo-N-(2,4,5-trichlorophenyl)pentanamide
CID 121015861
methyl 4-chloro-2-[2-(methylamino)propanoylamino]benzoate
CID 55096991

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide?
The IUPAC name of 2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide (CID 60638641) is 2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide.
What is the SMILES notation for 2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide?
The canonical SMILES for 2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide is CNC(C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide?
The InChIKey is FBSQTPKBQOCGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3N2O/c1-5(14-2)10(16)15-9-4-7(12)6(11)3-8(9)13/h3-5,14H,1-2H3,(H,15,16).
What are the key properties of 2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide?
2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide has a molecular weight of 281.57 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide is sourced from PubChem (CID 60638641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).